methyl acetate;1H-pyrazol-4-amine

C6H11N3O2 — CID 143500432

IUPACmethyl acetate;1H-pyrazol-4-amine
SMILESCOC(C)=O.Nc1cn[nH]c1
InChIInChI=1S/C3H5N3.C3H6O2/c4-3-1-5-6-2-3;1-3(4)5-2/h1-2H,4H2,(H,5,6);1-2H3
InChIKeyJBFCYQRFNBFEFF-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.17
Rot. Bonds

About methyl acetate;1H-pyrazol-4-amine

methyl acetate;1H-pyrazol-4-amine (PubChem CID 143500432) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl acetate;1H-pyrazol-4-amine.

Molecular Properties

Compound Namemethyl acetate;1H-pyrazol-4-amine
PubChem CID143500432
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Namemethyl acetate;1H-pyrazol-4-amine
SMILESCOC(C)=O.Nc1cn[nH]c1
InChIInChI=1S/C3H5N3.C3H6O2/c4-3-1-5-6-2-3;1-3(4)5-2/h1-2H,4H2,(H,5,6);1-2H3
InChIKeyJBFCYQRFNBFEFF-UHFFFAOYSA-N
XLogP0.17
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolium acetate
CID 129693330
1H-pyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225262
methyl N-(1H-pyrazol-4-yl)carbamate
CID 43540508
ethyl 3-(1H-pyrazol-4-ylimino)butanoate
CID 54158661
acetyl acetate;N-(1H-pyrazol-4-yl)acetamide
CID 89500030
ethanol;1H-pyrazol-4-amine
CID 89999632
1-methoxyethanol;1H-pyrazol-4-amine
CID 89999944
N-propan-2-yloxy-1H-pyrazol-4-amine
CID 130205502
ethane;1H-pyrazol-4-amine
CID 143220193
ethyl acetate;1H-pyrazole
CID 157669863
tert-butyl formate;1H-pyrazol-4-amine
CID 161148068
methane;1H-pyrazol-4-amine
CID 161634962

Frequently Asked Questions

What is the IUPAC name of methyl acetate;1H-pyrazol-4-amine?
The IUPAC name of methyl acetate;1H-pyrazol-4-amine (CID 143500432) is methyl acetate;1H-pyrazol-4-amine.
What is the SMILES notation for methyl acetate;1H-pyrazol-4-amine?
The canonical SMILES for methyl acetate;1H-pyrazol-4-amine is COC(C)=O.Nc1cn[nH]c1.
What is the InChIKey of methyl acetate;1H-pyrazol-4-amine?
The InChIKey is JBFCYQRFNBFEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.C3H6O2/c4-3-1-5-6-2-3;1-3(4)5-2/h1-2H,4H2,(H,5,6);1-2H3.
What are the key properties of methyl acetate;1H-pyrazol-4-amine?
methyl acetate;1H-pyrazol-4-amine has a molecular weight of 157.17 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acetate;1H-pyrazol-4-amine is sourced from PubChem (CID 143500432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).